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求cif文件 已有2人参与
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求CoSn (OH)6的cif文件 发自小木虫Android客户端 |
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漫天飘雪
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##CIF_1.1 data_sm_global #Used dictionaries loop_ _audit_conform_dict_name _audit_conform_dict_version _audit_conform_dict_location cif_core.dic 2.4.2 . cif_pd.dic 1.0.1 . cif_sm.dic 0.1 'redaktion.landolt-boernstein(at)springer.com' #About this content and reference _sm_credits_copyright ;PAULING FILE Multinaries Edition - 2012. SpringerMaterials Release 2014. https://www.paulingfile.com Unique LPF ID Number SD0556796 Project Coordinator: Shuichi Iwata Section-Editors: Karin Cenzual (Crystal Structures), Hiroaki Okamoto (Phase Diagrams), Fritz Hulliger (Physical Properties) (c) Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan 2014. (Data generated pre-2002: (c) Springer & MPDS & NIMS; post-2001: (c) Springer & MPDS) All Rights Reserved. Version 2014.06. ; _audit_creation_method ;This data have been compiled from the crystallographic datasheet for "CoSn(OH)6 (CoSn[OH]6) Crystal Structure" taken from SpringerMaterials (sm_isp_sd_0556796). ; _publ_section_references ;Morgenstern Badarau I., Billiet Y., Poix P., Michel A.: <i>Sur de nouveaux hydroxydes mixtes Mn<sup>2+</sup>Sn<sup>4+</sup>(OH)<sub>6</sub> et les composés isotypes AB(OH)<sub>6</sub></i>. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences <b>260</b> (1965) 3668-3669 (in French). ; #Phase classification _sm_phase_labels 'CoSn[OH]6' _chemical_name_mineral '' _sm_chemical_compound_class 'hydroxide' _sm_phase_prototype 'CaSn[OH]6 ' _sm_pearson_symbol 'cP32' _symmetry_Int_Tables_number 201 _sm_sample_details ;powder (determination of cell parameters) ; _sm_measurement_details ;film (determination of cell parameters), X-rays (determination of cell parameters) ; _sm_interpretation_details ;cell parameters determined and structure type assigned ; data_sm_isp_SD0556796-standardized_unitcell #Cell Parameters _cell_length_a 7.749 _cell_length_b 7.749 _cell_length_c 7.749 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _sm_length_ratio_ab 1.000 _sm_length_ratio_bc 1.000 _sm_length_ratio_ca 1.000 _cell_volume 465.3 _symmetry_space_group_name_H-M 'Pn-3m' _symmetry_Int_Tables_number 224 _cell_formula_units_Z 4 _sm_cell_transformation ;No transformation from published to standardized cell parameters necessary. ; #Atom Coordinates loop_ _atom_site_label _atom_site_type_symbol _atom_site_Wyckoff_symbol _sm_site_symmetry _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _sm_coordination_number _sm_atomic_environment_type O1 'O' .24k ...m 0.0562 0.0562 0.248 1 ? '?' Co1 'Co' .4c ..-3m 0.5 0.5 0.5 1 ? '?' Sn1 'Sn' .4b ..-3m 0 0 0 1 ? '?' _sm_atom_site_transformation ;No transformation from published to standardized cell parameters necessary. Atom coordinates assigned by editor. ; data_sm_isp_SD0556796-published_cell #Cell Parameters _cell_length_a 7.749(2) _cell_length_b 7.749(2) _cell_length_c 7.749(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _sm_length_ratio_ab 1.000 _sm_length_ratio_bc 1.000 _sm_length_ratio_ca 1.000 _cell_volume 465.3 _symmetry_space_group_name_H-M 'Pn-3m' _symmetry_Int_Tables_number 224 _cell_formula_units_Z 4 #Atom Coordinates loop_ _atom_site_label _atom_site_type_symbol _atom_site_Wyckoff_symbol _sm_site_symmetry _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _sm_coordination_number _sm_atomic_environment_type data_sm_isp_SD0556796-niggli_reduced_cell #Cell Parameters _cell_length_a 7.749 _cell_length_b 7.749 _cell_length_c 7.749 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _sm_length_ratio_ab 1.000 _sm_length_ratio_bc 1.000 _sm_length_ratio_ca 1.000 _cell_volume 465.3 _symmetry_space_group_name_H-M '' _symmetry_Int_Tables_number ? _cell_formula_units_Z 4 #Atom Coordinates loop_ _atom_site_label _atom_site_type_symbol _atom_site_Wyckoff_symbol _sm_site_symmetry _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _sm_coordination_number _sm_atomic_environment_type |
3楼2022-05-15 00:45:32
4楼2022-05-15 10:10:49
